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Basic information
- CAS
137819-76-2- Standard SMILES
CNc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)S1- InChIKey
ANZVBDMYBZKQST-JGVFFNPUSA-N- Molecular formula
- C11H15N5OS
- Average molar mass
- 265.34 g/mol
- Monoisotopic mass
- 265.09973129
Names & identifiers
- Preferred name
- 2',3'-Dideoxy-N^6-methyl-4'-thioadenosine
- IUPAC
- [(2S,5R)-5-[6-(methylamino)purin-9-yl]thiolan-2-yl]methanol
Names & synonyms
2',3'-Dideoxy-N^6-methyl-4'-thioadenosine137819-76-2SCHEMBL9113289DTXSID50160325ANZVBDMYBZKQST-JGVFFNPUSA-NAdenosine,2',3'-dideoxy-N-methyl-4'-thio-N6 -Methyl-4'-thio-2',3'-dideoxyadenosine{(2S,5R)-5-[6-(Methylamino)-9H-purin-9-yl]thiolan-2-yl}methanol[(2S,5R)-5-[6-(methylamino)purin-9-yl]tetrahydrothiophen-2-yl]methanol
Database identifiers
- CAS
137819-76-2- PubChem CID
- 453757
- DTXSID
DTXSID50160325
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
2 records
Compound notes
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